CAS No.6145-73-9,Tris(2-chloropropyl) phosphate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6145-73-9
Name:	Tris(2-chloropropyl) phosphate
Article Data:	13

Formula:	C₉H₁₈Cl₃O₄P
Molecular Weight:	327.572
Synonyms:	1-Propanol,2-chloro-, phosphate (3:1) (6CI,8CI,9CI);AP 33;Antiblaze RX 35;NSC 524664;Noinen R 921;Pelron 9338;TCPP;TMCPP;Tri(2-chloropropyl) phosphate;Tri(b-chloropropyl) phosphate;Tris(2-chloropropyl) phosphate;Tris(b-chloropropyl) phosphate;
EINECS:	228-150-4
Density:	1.281 g/cm³
Boiling Point:	358.5 °C at 760 mmHg
Flash Point:	249.7 °C
Solubility:	<0.1 g/100 mL at 19.5℃
PSA:	54.57000
LogP:	4.02620

Synthetic route

: 75-56-9, 16033-71-9
methyloxirane

: 6145-73-9
Tris(2-chloropropyl) phosphate

Conditions

Conditions	Yield
With trichlorophosphate at 10℃; for 2h; Reagent/catalyst; Autoclave; Reflux;	98.3%
With triethylamine; trichlorophosphate
With titanium tetrachloride; trichlorophosphate

: 108-32-7
1,2-propylene cyclic carbonate

: 6145-73-9
Tris(2-chloropropyl) phosphate

Conditions

Conditions	Yield
With trichlorophosphate

: 75-56-9, 16033-71-9
methyloxirane

A: (ClCH2CH2CH2O)(MeCHClCH2O)2PO

B: (ClCH2CH2CH2O)2(MeCHClCH2O)PO

C: 6145-73-9
Tris(2-chloropropyl) phosphate

D: 1067-98-7
tris(3-chloropropyl) phosphate

Conditions

Conditions	Yield
With trichlorophosphate; aluminum oxide at 45 - 75℃; for 3 - 6h; Product distribution / selectivity;	A 29.7 %Chromat. B 6.3 %Chromat. C 50 %Chromat. D 0.5 %Chromat.
With trichlorophosphate; ZR(OZ)2WO3 (RO129) at 40 - 55℃; for 3h; Product distribution / selectivity;	A 13.8 %Chromat. B 5.0 %Chromat. C 14.8 %Chromat. D 1.6 %Chromat.
With trichlorophosphate; magnesium aluminate at 40 - 75℃; for 3h; Product distribution / selectivity;	A 23.9 %Chromat. B 5.2 %Chromat. C 51.7 %Chromat. D 0.5 %Chromat.

...Expand

: 75-56-9, 16033-71-9
methyloxirane

A: 6145-73-9
Tris(2-chloropropyl) phosphate

B: 14250-96-5, 16958-22-8, 623-36-9
2-methyl-2-pentenal

C: 13674-84-5
tris-(2-chloro, 1-methylethyl)-phosphate

D: 76025-08-6
bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate

E: 76649-15-5
2-chloro-1-methylethyl bis(2-chloropropyl)phosphate

Conditions

Conditions	Yield
With trichlorophosphate; aluminum (III) chloride at 40 - 65℃; for 6h; Product distribution / selectivity;
With trichlorophosphate; titanium tetrachloride at 40 - 65℃; for 6h; Product distribution / selectivity;

...Expand

: 75-56-9, 16033-71-9
methyloxirane

A: 6145-73-9
Tris(2-chloropropyl) phosphate

B: 13674-84-5
tris-(2-chloro, 1-methylethyl)-phosphate

C: 76025-08-6
bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate

D: 76649-15-5
2-chloro-1-methylethyl bis(2-chloropropyl)phosphate

Conditions

Conditions	Yield
With trichlorophosphate; aluminum (III) chloride at 50 - 95℃; for 6h; Product distribution / selectivity;

...Expand

: 6145-73-9
Tris(2-chloropropyl) phosphate

: 7550-45-0
titanium tetrachloride

: 1022894-35-4
bis[tri(2-chloropropyl)phosphate]tetrachlorotitanium

Conditions

Conditions	Yield
In neat (no solvent) (inert atm); TiCl4 was added to phosphate with stiring, maintained at room temp. for 1 h;

: 6145-73-9
Tris(2-chloropropyl) phosphate

: 7646-78-8
tin(IV) chloride

: 1022894-33-2
bis[tri(2-chloropropyl)phosphate]tetrachlorotin

Conditions

Conditions	Yield
In neat (no solvent) (inert atm); SnCl4 was added to phosphate with stiring, maintained at room temp. for 1 h;

: 6145-73-9
Tris(2-chloropropyl) phosphate

: 7646-85-7
zinc(II) chloride

: 1131798-16-7
bis[tri(2-chloropropyl)phosphate]dichlorozinc

Conditions

Conditions	Yield
In neat (no solvent) (inert atm); ZnCl2 was added to phosphate with stiring, heated at 1--=120°C for 1.5-2 h;

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Specification

The cas register number of Tris(2-chloropropyl) phosphate is 6145-73-9. It also can be called as Tris(beta-chloropropyl) phosphate and the Systematic name about this chemical is 1-Propanol, 2-chloro-, 1,1',1''-phosphate.

Physical properties about Tris(2-chloropropyl) phosphate are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.51; (6)ACD/BCF (pH 7.4): 8.51; (7)ACD/KOC (pH 5.5): 161.11; (8)ACD/KOC (pH 7.4): 161.11; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 54.57Å²; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 70.27 cm³; (15)Molar Volume: 255.6 cm³; (16)Surface Tension: 36.6 dyne/cm; (17)Density: 1.281 g/cm³; (18)Flash Point: 249.7 °C; (19)Enthalpy of Vaporization: 58.02 kJ/mol; (20)Boiling Point: 358.5 °C at 760 mmHg; (21)Vapour Pressure: 5.25E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: ClC(COP(=O)(OCC(Cl)C)OCC(Cl)C)C
2.InChI: InChI=1/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3
3.InChIKey: GTRSAMFYSUBAGN-UHFFFAOYAS
4.Std. InChI: InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	2gm/kg (2000mg/kg)	BEHAVIORAL: FOOD INTAKE (ANIMAL) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	National Technical Information Service. Vol. OTS0517715,
rat	LCLo	inhalation	5gm/m3/4H (5000mg/m3)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	National Technical Information Service. Vol. OTS0517715,
rat	LD50	oral	1017mg/kg (1017mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: IRRITABILITY GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	National Technical Information Service. Vol. OTS0517716,